SCHEMBL21136951

SCHEMBL21136951

CNc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cc(OCCCN4CCOCC4)c(OC)cc3n2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.81
SRC P12931 7/20 0.55
KDR P35968 6/20 0.55
MAP4K5 Q9Y4K4 3/20 0.53
PRKD3 O94806 3/20 0.53
CHEK2 O96017 2/20 0.53
PHKG2 P15735 2/20 0.53
CAMK2G Q13555 2/20 0.53
CAMK2D Q13557 2/20 0.53
PIM3 Q86V86 2/20 0.53
HIPK4 Q8NE63 2/20 0.53
PRKD2 Q9BZL6 2/20 0.53
SLK Q9H2G2 2/20 0.53
MKNK2 Q9HBH9 2/20 0.53
STK17A Q9UEE5 2/20 0.53
MAP2K2 P36507 2/20 0.53
AURKB Q96GD4 2/20 0.53
PLK4 O00444 1/20 0.53
PRKCG P05129 1/20 0.53
CDK2 P24941 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21136953 0.90 ROCK2 (0.76) ROCK2KDRMAP4K5PRKD3CHEK2
SCHEMBL877371 0.90 ROCK2 (1.00) ROCK2SRCKDRMAP4K5PRKD3
SCHEMBL877053 0.89 ROCK2 (0.76) ROCK2SRCKDRMAP4K5PRKD3
SCHEMBL1724703 0.89 ROCK2 (0.82) ROCK2SRCKDRMAP4K5PRKD3
SCHEMBL3794720 0.88 ROCK2 (0.75) ROCK2SRCKDRMAP4K5PRKD3
SCHEMBL1724886 0.88 ROCK2 (0.80) ROCK2SRCKDRMAP4K5PRKD3
SCHEMBL21136954 0.86 ROCK2 (0.62) ROCK2KDRMAP4K5PRKD3CHEK2
SCHEMBL3794722 0.85 ROCK2 (0.71) ROCK2SRCKDRMAP4K5PRKD3
SCHEMBL1724850 0.85 ROCK2 (1.00) ROCK2SRCKDRMAP4K5PRKD3
SCHEMBL1722249 0.84 ROCK2 (0.87) ROCK2SRCKDRMAP4K5PRKD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570123-B2 Pharmacokinetically improved compounds SURFACE LOGIX, LLC (US) 2020-02-25 US disclosed
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. 2019-06-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885SRC 1809/4885KDR 1005/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 ROCK2 1/4885SRC 1809/4885KDR 1005/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.